From b1484089386b4321527a4456ff0fc1fa6d737f35 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 23 Oct 2020 16:58:07 +0200 Subject: [PATCH] Fixed maxloc --- src/cipsi/selection.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/cipsi/selection.irp.f b/src/cipsi/selection.irp.f index f1eb3425..00ac915e 100644 --- a/src/cipsi/selection.irp.f +++ b/src/cipsi/selection.irp.f @@ -815,7 +815,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d stop -1 endif pt2_matrix = dabs(pt2_matrix) - iwork = maxloc(pt2_matrix,1) + iwork(1:N_states) = maxloc(pt2_matrix,1) do k=1,N_states e_pert(iwork(k)) = eigvalues(k) - E0(iwork(k)) enddo